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09:38, 15 December 2010 Eo308 talk contribs uploaded File:Chair IRC method 2.mol
09:38, 15 December 2010 Eo308 talk contribs uploaded File:Chair IRC method 3.mol
09:38, 15 December 2010 Eo308 talk contribs uploaded File:Chair IRC method 4.mol
09:33, 15 December 2010 Eo308 talk contribs uploaded File:Chair IRC method 1.mol
09:30, 15 December 2010 Eo308 talk contribs uploaded File:IRC method 4 summary.png
09:29, 15 December 2010 Eo308 talk contribs uploaded File:Total energy and RMS for IRC method 3.png
09:29, 15 December 2010 Eo308 talk contribs uploaded File:IRC method 3 summary.png
09:28, 15 December 2010 Eo308 talk contribs uploaded File:IRC method 2 summary.png
09:27, 15 December 2010 Eo308 talk contribs uploaded File:Total energy and RMS for IRC method 1.png
09:27, 15 December 2010 Eo308 talk contribs uploaded File:Chair IRC summary.png
09:26, 15 December 2010 Eo308 talk contribs uploaded File:Total energy and RMS for IRC method 4.png
16:11, 14 December 2010 Eo308 talk contribs uploaded File:Transition state optimisation 2.png
16:11, 14 December 2010 Eo308 talk contribs uploaded File:DATS tsberny opt.mol
16:06, 14 December 2010 Eo308 talk contribs uploaded File:DATS minimum opt.mol
16:01, 14 December 2010 Eo308 talk contribs uploaded File:DATS 2BL BONDDERIV.LOG
15:52, 14 December 2010 Eo308 talk contribs uploaded File:Prototype reaction.png
15:49, 14 December 2010 Eo308 talk contribs uploaded File:Transition state optimisation 1.png
15:45, 14 December 2010 Eo308 talk contribs uploaded File:DATS 2BL OPT TO MIN.LOG
15:42, 14 December 2010 Eo308 talk contribs uploaded File:Initial TS cisbut+ethylene.png
15:39, 14 December 2010 Eo308 talk contribs uploaded File:Initial TS cisbut+ethylene.png
10:37, 14 December 2010 Eo308 talk contribs uploaded File:Cis cutadiene LUMO view 1.png
10:36, 14 December 2010 Eo308 talk contribs uploaded File:Cis butadiene HOMO view 1.png
10:32, 14 December 2010 Eo308 talk contribs uploaded File:Cisbut opt.mol
10:30, 14 December 2010 Eo308 talk contribs uploaded File:Cis-butadiene opt summary.png
10:27, 14 December 2010 Eo308 talk contribs uploaded File:CIS BUTADIENE NEW OPTIMISATION.LOG
10:14, 14 December 2010 Eo308 talk contribs uploaded File:REACT GAUCHE.LOG
10:00, 14 December 2010 Eo308 talk contribs uploaded File:Chair accurate energies.png
09:52, 14 December 2010 Eo308 talk contribs uploaded File:CHAIR ACCOPT.LOG
09:39, 14 December 2010 Eo308 talk contribs uploaded File:Chair accurate.mol
09:38, 14 December 2010 Eo308 talk contribs uploaded File:Chair accurate opt+freq summary.png
15:40, 13 December 2010 Eo308 talk contribs uploaded File:Bondderiv structure.mol
15:37, 13 December 2010 Eo308 talk contribs uploaded File:Bondderiv summary.png
15:25, 13 December 2010 Eo308 talk contribs uploaded File:CHAIR TS FROZEN COORD BONDDERIV PARTG.LOG
14:09, 13 December 2010 Eo308 talk contribs uploaded File:Anti2 HF freq.txt
13:27, 13 December 2010 Eo308 talk contribs uploaded File:Thermochemistry output energy.png
13:21, 13 December 2010 Eo308 talk contribs uploaded File:Boat accurate freq.txt
12:57, 13 December 2010 Eo308 talk contribs uploaded File:Accurate boat.mol
12:54, 13 December 2010 Eo308 talk contribs uploaded File:Boat accurate opt.png
12:52, 13 December 2010 Eo308 talk contribs uploaded File:Boat accurate opt.out
11:30, 13 December 2010 Eo308 talk contribs uploaded File:Boat TS vibration view 2.png
11:30, 13 December 2010 Eo308 talk contribs uploaded File:Boat TS vibration.png
11:28, 13 December 2010 Eo308 talk contribs uploaded File:Boat TS vibration view 2.png
11:28, 13 December 2010 Eo308 talk contribs uploaded File:Boat TS vibration.png
11:18, 13 December 2010 Eo308 talk contribs uploaded File:Boat TS low freqs.png
11:12, 13 December 2010 Eo308 talk contribs uploaded File:Modified boat opt+freq.png
11:09, 13 December 2010 Eo308 talk contribs uploaded File:BOAT MODIFIED.LOG
10:59, 13 December 2010 Eo308 talk contribs uploaded File:Boat TS.mol
10:52, 13 December 2010 Eo308 talk contribs uploaded File:Modified boat TS structure.png
10:51, 13 December 2010 Eo308 talk contribs uploaded File:Modified boat TS structure.png
10:50, 13 December 2010 Eo308 talk contribs uploaded File:Modified boat TS optimised.png